TL;DR: tert-butyl (2S)-2-[[(E)-quinolin-8-ylmethylideneamino]carbamoyl]pyrrolidine-1-carboxylate (CAS 1173668-10-4) is a chemical compound with molecular formula C20H24N4O3 and molecular weight 368.18484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2S)-2-[[(E)-quinolin-8-ylmethylideneamino]carbamoyl]pyrrolidine-1-carboxylate
Also Known As: tert-butyl (2S)-2-[[(E)-quinolin-8-ylmethylideneamino]carbamoyl]pyrrolidine-1-carboxylate, (S,E)-tert-butyl 2-(2-(quinolin-8-ylmethylene)hydrazinecarbonyl)pyrrolidine-1-carboxylate, (S)-2-[1-Quinolin-8-yl-meth-(E)-ylidene-hydrazinocarbonyl]-pyrrolidine-1-carboxylic acid tert-butyl ester, tert-Butyl (2S)-2-{(2E)-2-[(quinolin-8-yl)methylidene]hydrazinecarbonyl}pyrrolidine-1-carboxylate
| Molecular Formula | C20H24N4O3 |
| Molecular Weight | 368.18484 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.18484 Da |
| Heavy Atoms | 27 |
| Complexity | 572.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/C2=CC=CC3=C2N=CC=C3 |
| InChIKey | HXEQCFJCNGNYNK-QPNANDPSSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2S)-2-[[(E)-quinolin-8-ylmethylideneamino]carbamoyl]pyrrolidine-1-carboxylate. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (2S)-2-[[(E)-quinolin-8-ylmethylideneamino]carbamoyl]pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl (2S)-2-[[(E)-quinolin-8-ylmethylideneamino]carbamoyl]pyrrolidine-1-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of tert-butyl (2S)-2-[[(E)-quinolin-8-ylmethylideneamino]carbamoyl]pyrrolidine-1-carboxylate is 1173668-10-4.
The molecular formula of tert-butyl (2S)-2-[[(E)-quinolin-8-ylmethylideneamino]carbamoyl]pyrrolidine-1-carboxylate is C20H24N4O3.
The molecular weight of tert-butyl (2S)-2-[[(E)-quinolin-8-ylmethylideneamino]carbamoyl]pyrrolidine-1-carboxylate is 368.18484 g/mol.
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